Structure database (LMSD)

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LM IDLMFA01050232
Common Name9-hydroxy-5Z-nonenoic acid
Systematic Name9-hydroxy-5Z-nonenoic acid
Synonyms-
Exact Mass
172.1099 (neutral)    Calculate m/z:
FormulaC9H16O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 9:1;O
LIPIDAT ID4786
PubChem CID5312793
InChIKeyWPQRIXDVEGLWLV-UPHRSURJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h1-2,10H,3-8H2,(H,11,12)/b2-1-
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SMILES
C(CCC/C=C\CCCO)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
185.35Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.85Molar
Refractivity
47.44